CID 508764

3-furancarboxamide, n-[2-[[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]methyl]amino]-2-oxoethyl]-2-methyl-

Structural Information

Molecular Formula
C21H26ClN3O3
SMILES
CC1=C(C=CO1)C(=O)NCC(=O)NCC2CCN(CC2)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H26ClN3O3/c1-15-19(8-11-28-15)21(27)24-13-20(26)23-12-16-6-9-25(10-7-16)14-17-2-4-18(22)5-3-17/h2-5,8,11,16H,6-7,9-10,12-14H2,1H3,(H,23,26)(H,24,27)
InChIKey
YFXVXNUPGVYZPV-UHFFFAOYSA-N
Compound name
N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.16626 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.17354 199.6
[M+Na]+ 426.15548 202.8
[M-H]- 402.15898 207.5
[M+NH4]+ 421.20008 209.1
[M+K]+ 442.12942 198.2
[M+H-H2O]+ 386.16352 190.1
[M+HCOO]- 448.16446 213.5
[M+CH3COO]- 462.18011 224.8
[M+Na-2H]- 424.14093 197.5
[M]+ 403.16571 199.7
[M]- 403.16681 199.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.